SCHEMBL9622908

SCHEMBL9622908

COc1cc(OC)c(OC)cc1CSC1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
MCHR1 Q99705 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.46
APP P05067 1/20 0.46
KMT2A Q03164 1/20 0.45
ADRA2A P08913 3/20 0.44
ADRA2C P18825 3/20 0.44
SLC6A4 P31645 2/20 0.44
ADRA2B P18089 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9622905 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL9367286 0.86 SMN1; SMN2 (0.48) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL9367280 0.86 SMN1; SMN2 (0.48) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL9622236 0.85 SMN1; SMN2 (0.56) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL9622231 0.85 SMN1; SMN2 (0.56) SMN1; SMN2GAATSHRLMNAMAPT
Fumaric Acid SCHEMBL9622178 0.80 ALDH1A1 (0.49) SMN1; SMN2GAATSHRLMNAMAPT
Fumaric Acid SCHEMBL9622181 0.80 ALDH1A1 (0.49) SMN1; SMN2GAATSHRLMNAMAPT
Fumaric Acid SCHEMBL9622176 0.80 ALDH1A1 (0.49) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL9622597 0.76 LMNA (0.44) SMN1; SMN2TSHRLMNAMAPTMAPK1
SCHEMBL9622599 0.76 LMNA (0.44) SMN1; SMN2TSHRLMNAMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed